(4-methylphenyl) 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (4-methylphenyl) 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: p-tolyl 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid p-tolyl ester Formula: C13H11BrN2O2S MolecularWeight: 339.20764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)SC

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Br)SC

InChI

InChI=1S/C13H11BrN2O2S/c1-8-3-5-9(6-4-8)18-12(17)11-10(14)7-15-13(16-11)19-2/h3-7H,1-2H3